N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide

C16H13BrClF3N2O3S — CID 1320398

IUPACN-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13BrClF3N2O3S/c1-27(25,26)23(9-15(24)22-12-4-2-3-11(17)8-12)14-7-10(16(19,20)21)5-6-13(14)18/h2-8H,9H2,1H3,(H,22,24)
InChIKeyRMKRSUYIAMMLII-UHFFFAOYSA-N
MW485.71 g/mol
LogP4.53
Rot. Bonds5

About N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide

N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide (PubChem CID 1320398) has the molecular formula C16H13BrClF3N2O3S and a molecular weight of 485.71 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
PubChem CID1320398
Molecular FormulaC16H13BrClF3N2O3S
Molecular Weight485.71 g/mol
Exact Mass483.95
IUPAC NameN-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H13BrClF3N2O3S/c1-27(25,26)23(9-15(24)22-12-4-2-3-11(17)8-12)14-7-10(16(19,20)21)5-6-13(14)18/h2-8H,9H2,1H3,(H,22,24)
InChIKeyRMKRSUYIAMMLII-UHFFFAOYSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.71
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-tert-butylbenzoyl)phenyl]-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 43908434
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide
CID 22193721
N-[1-(3-bromophenyl)ethylideneamino]-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 4242485
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 2290391
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880933
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
3-chloro-N-[3-[(E)-N-[[2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 43881832
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1100011
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 22193695
4-tert-butyl-N-[3-[[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]phenyl]benzamide
CID 99957213
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 43882172
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 21366977

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide (CID 1320398) is N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(Br)c1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide?
The InChIKey is RMKRSUYIAMMLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClF3N2O3S/c1-27(25,26)23(9-15(24)22-12-4-2-3-11(17)8-12)14-7-10(16(19,20)21)5-6-13(14)18/h2-8H,9H2,1H3,(H,22,24).
What are the key properties of N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide?
N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide has a molecular weight of 485.71 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 1320398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).